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Substance Name: 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(3-piperidinopropyl)-, hydrochloride, hydrate (1:3:3)
RN: 23462-17-1
InChIKey: VSJFSGUPFLRNOP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H35-N3.3Cl-H.3H2-O

Molecular Weight

  • 504.967
 
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Names and Synonyms

Synonym

  • 3-Benzyl-9-(3-piperidinopropyl)-3,9-diazabicyclo(3.3.1)nonane hydrochloride hydrate

Systematic Name

  • 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(3-piperidinopropyl)-, hydrochloride, hydrate (1:3:3)

Registry Numbers

CAS Registry Number

  • 23462-17-1

System Generated Number

  • 0023462171

Molecular Formulas

Molecular Formula

  • C22-H35-N3.3Cl-H.3H2-O

Molecular Formula Fragments

  • C22-H35-N3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H35N3.3ClH.3H2O/c1-3-9-20(10-4-1)17-24-18-21-11-7-12-22(19-24)25(21)16-8-15-23-13-5-2-6-14-23;;;;;;/h1,3-4,9-10,21-22H,2,5-8,11-19H2;3*1H;3*1H2

InChIKey

VSJFSGUPFLRNOP-UHFFFAOYSA-N

Smiles

Cl.Cl.O.N1([C@@H]2CN(Cc3ccccc3)C[C@@H]1CCC2)CCCN1CCCCC1.Cl.O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 27mg/kg (27mg/kg) AUTONOMIC NERVOUS SYSTEM: PARASYMPATHOLYTIC Pharmaceutical Chemistry Journal Vol. 3, Pg. 68, 1969.